N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide

C16H10N6O3 — CID 2798206

IUPACN-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide
SMILESN#CC(C#N)=CNc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H10N6O3/c17-8-11(9-18)10-19-14-2-1-3-15(20-14)21-16(23)12-4-6-13(7-5-12)22(24)25/h1-7,10H,(H2,19,20,21,23)
InChIKeyBWNBWBZMQVOKEJ-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.59
Rot. Bonds5

About N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide

N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide (PubChem CID 2798206) has the molecular formula C16H10N6O3 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide
PubChem CID2798206
Molecular FormulaC16H10N6O3
Molecular Weight334.30 g/mol
Exact Mass334.08
IUPAC NameN-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide
SMILESN#CC(C#N)=CNc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H10N6O3/c17-8-11(9-18)10-19-14-2-1-3-15(20-14)21-16(23)12-4-6-13(7-5-12)22(24)25/h1-7,10H,(H2,19,20,21,23)
InChIKeyBWNBWBZMQVOKEJ-UHFFFAOYSA-N
XLogP2.59
TPSA144.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157043653
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
4-chloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168542960
(4-nitrophenyl) 2-(2,2-dicyanoethenylamino)benzoate
CID 168541495
N-(4-bromo-2-pyridinyl)-4-nitrobenzamide
CID 102674414
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-benzo[cd]indol-2-yl-4-nitrobenzamide
CID 3878556
4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
N-(2-formylphenyl)-4-nitrobenzamide
CID 142750157

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide?
The IUPAC name of N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide (CID 2798206) is N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide.
What is the SMILES notation for N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide?
The canonical SMILES for N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide is N#CC(C#N)=CNc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide?
The InChIKey is BWNBWBZMQVOKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O3/c17-8-11(9-18)10-19-14-2-1-3-15(20-14)21-16(23)12-4-6-13(7-5-12)22(24)25/h1-7,10H,(H2,19,20,21,23).
What are the key properties of N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide?
N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide has a molecular weight of 334.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide is sourced from PubChem (CID 2798206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).